Geometry & MOs

Info

ID:	324945
PubChem CID:	126678879
Reduced:	ON8C14H16 (1)
Stoich.:	AB8C14D16 (1)
Weight, g/mol:	335.094916
ΔH_f, kcal/mol:	91.57
Dipole, Da:	4.94
IP(EA), eV:	-8.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-chloro-6-fluoro-4-propylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=NC=N2)COC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations